2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol

C25H41F3O6Si — CID 59916233

IUPAC2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol
SMILESCOc1ccc(COC2[C@H](CCO)O[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)[C@@H]2OC)cc1
InChIInChI=1S/C25H41F3O6Si/c1-24(2,3)35(6,7)34-21(25(26,27)28)13-12-19-22(31-5)23(20(33-19)14-15-29)32-16-17-8-10-18(30-4)11-9-17/h8-11,19-23,29H,12-16H2,1-7H3/t19-,20+,21?,22+,23?/m1/s1
InChIKeyQEXZAGHIIGAPRR-GZXIHUGOSA-N
MW522.68 g/mol
LogP5.48
Rot. Bonds12

About 2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol

2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol (PubChem CID 59916233) has the molecular formula C25H41F3O6Si and a molecular weight of 522.68 g/mol. Its IUPAC name is 2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol
PubChem CID59916233
Molecular FormulaC25H41F3O6Si
Molecular Weight522.68 g/mol
Exact Mass522.26
IUPAC Name2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol
SMILESCOc1ccc(COC2[C@H](CCO)O[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)[C@@H]2OC)cc1
InChIInChI=1S/C25H41F3O6Si/c1-24(2,3)35(6,7)34-21(25(26,27)28)13-12-19-22(31-5)23(20(33-19)14-15-29)32-16-17-8-10-18(30-4)11-9-17/h8-11,19-23,29H,12-16H2,1-7H3/t19-,20+,21?,22+,23?/m1/s1
InChIKeyQEXZAGHIIGAPRR-GZXIHUGOSA-N
XLogP5.48
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.68
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-((4-Methoxyphenyl)methoxy)-1,2-propanediol
CID 114569
1,3-Dioxolane-4-methanol, 2-(p-methoxyphenyl)-2-methyl-
CID 57665
1,3-Dioxolane-4-methanol, 2-ethyl-2-(p-methoxyphenyl)-
CID 58243
4-[2-[2-(4-Methoxyphenyl)ethyl]-2-methyl-1,3-dioxolan-4-yl]butan-1-ol
CID 237237
2,5-Anhydro-2-(4-methoxyphenyl)hexitol
CID 266792
(2S)-3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]propane-1,2-diol
CID 168278019
(1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol
CID 11198109
1-(Trimethylsilyloxy)-1-(4-methoxyphenyl)-2,2,2-trifluoroethane
CID 85812397
(R)-3-((4-methoxybenzyl)oxy)propane-1,2-diol
CID 10867593
1,2-Propanediol, 3-[(4-methoxyphenyl)methoxy]-, (2S)-
CID 13904788
3,3,3-Trifluoro-1-(4-methoxyphenyl)propane-1,2,2-triol
CID 177693159
[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-3-[(2S)-2-[(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butyl]-3,4-dihydro-2H-pyran-6-yl]-3-methylbut-1-enyl]oxan-2-yl]methyl trifluoromethanesulfonate
CID 10952961

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol?
The IUPAC name of 2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol (CID 59916233) is 2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol.
What is the SMILES notation for 2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol?
The canonical SMILES for 2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol is COc1ccc(COC2[C@H](CCO)O[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)[C@@H]2OC)cc1.
What is the InChIKey of 2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol?
The InChIKey is QEXZAGHIIGAPRR-GZXIHUGOSA-N. The full InChI is InChI=1S/C25H41F3O6Si/c1-24(2,3)35(6,7)34-21(25(26,27)28)13-12-19-22(31-5)23(20(33-19)14-15-29)32-16-17-8-10-18(30-4)11-9-17/h8-11,19-23,29H,12-16H2,1-7H3/t19-,20+,21?,22+,23?/m1/s1.
What are the key properties of 2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol?
2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol has a molecular weight of 522.68 g/mol, XLogP of 5.48, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S,5R)-5-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutyl]-4-methoxy-3-[(4-methoxyphenyl)methoxy]oxolan-2-yl]ethanol is sourced from PubChem (CID 59916233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).